3-(3,5-dimethylphenoxy)-N-methylcyclopentan-1-amine

C14H21NO — CID 79642888

IUPAC3-(3,5-dimethylphenoxy)-N-methylcyclopentan-1-amine
SMILESCNC1CCC(Oc2cc(C)cc(C)c2)C1
InChIInChI=1S/C14H21NO/c1-10-6-11(2)8-14(7-10)16-13-5-4-12(9-13)15-3/h6-8,12-13,15H,4-5,9H2,1-3H3
InChIKeySPMSHIKFISJFNY-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.82
Rot. Bonds3

About 3-(3,5-dimethylphenoxy)-N-methylcyclopentan-1-amine

3-(3,5-dimethylphenoxy)-N-methylcyclopentan-1-amine (PubChem CID 79642888) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 3-(3,5-dimethylphenoxy)-N-methylcyclopentan-1-amine.

Molecular Properties

Compound Name3-(3,5-dimethylphenoxy)-N-methylcyclopentan-1-amine
PubChem CID79642888
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name3-(3,5-dimethylphenoxy)-N-methylcyclopentan-1-amine
SMILESCNC1CCC(Oc2cc(C)cc(C)c2)C1
InChIInChI=1S/C14H21NO/c1-10-6-11(2)8-14(7-10)16-13-5-4-12(9-13)15-3/h6-8,12-13,15H,4-5,9H2,1-3H3
InChIKeySPMSHIKFISJFNY-UHFFFAOYSA-N
XLogP2.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-Dihydrobenzofuran-5-yl)-N-methylpropan-2-amine
CID 112500533
N-[(3-methoxyphenyl)methyl]cyclopentanamine
CID 775303
1-(3,5-Dimethylphenoxy)-3-(isopropylamino)-2-propanol hydrochloride
CID 2843596
exo-(1R,5S)-3-(m-tolyloxy)-8-azabicyclo[3.2.1]octane
CID 53322200
1-cyclopropyl-2-(3,5-dimethylphenoxy)-N-(2-methoxyethyl)ethanamine;hydrochloride
CID 162315529
N-cyclopentyl-N-[3-(4-methylphenoxy)propyl]amine
CID 1825705
2-[5-(3,5-Dimethylphenoxy)pentylamino]ethanol
CID 2249966
N-(sec-butyl)-4-(3-isopropyl-5-methylphenoxy)-1-butanamine
CID 2934783
[3-(Biphenyl-3-yloxy)-propyl]-isopropyl-amine
CID 10492217
1-(3,5-Dimethylphenoxy)propan-2-amine hydrochloride
CID 17139094
1-Cyclopropyl-2-(3,5-dimethylphenoxy)ethanamine;hydrochloride
CID 139451737
2-(3,5-Dimethylphenoxy)ethan-1-amine hydrochloride
CID 2790509

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylphenoxy)-N-methylcyclopentan-1-amine?
The IUPAC name of 3-(3,5-dimethylphenoxy)-N-methylcyclopentan-1-amine (CID 79642888) is 3-(3,5-dimethylphenoxy)-N-methylcyclopentan-1-amine.
What is the SMILES notation for 3-(3,5-dimethylphenoxy)-N-methylcyclopentan-1-amine?
The canonical SMILES for 3-(3,5-dimethylphenoxy)-N-methylcyclopentan-1-amine is CNC1CCC(Oc2cc(C)cc(C)c2)C1.
What is the InChIKey of 3-(3,5-dimethylphenoxy)-N-methylcyclopentan-1-amine?
The InChIKey is SPMSHIKFISJFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-10-6-11(2)8-14(7-10)16-13-5-4-12(9-13)15-3/h6-8,12-13,15H,4-5,9H2,1-3H3.
What are the key properties of 3-(3,5-dimethylphenoxy)-N-methylcyclopentan-1-amine?
3-(3,5-dimethylphenoxy)-N-methylcyclopentan-1-amine has a molecular weight of 219.33 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylphenoxy)-N-methylcyclopentan-1-amine is sourced from PubChem (CID 79642888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).